SCHEMBL21265474

SCHEMBL21265474

CC[C@H]1CCC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.56
GABRB2 P47870 20/20 0.56
GABRD O14764 19/20 0.56
GABRA4 P48169 19/20 0.56
GABRP O00591 18/20 0.56
GABRB1 P18505 18/20 0.56
GABRG2 P18507 18/20 0.56
GABRB3 P28472 18/20 0.56
GABRA5 P31644 18/20 0.56
GABRA3 P34903 18/20 0.56
GABRA2 P47869 18/20 0.56
GABRE P78334 18/20 0.56
GABRA6 Q16445 18/20 0.56
GABRG1 Q8N1C3 18/20 0.56
GABRG3 Q99928 18/20 0.56
GABRQ Q9UN88 18/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21134625 0.92 GABRA1 (0.62) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL19655746 0.92 GABRA1 (0.62) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL22782935 0.92 GABRA1 (0.62) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL25699273 0.92 GABRA1 (0.62) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL20924552 0.92 GABRA1 (0.62) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL19655748 0.92 GABRA1 (0.62) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL29904114 0.90 GABRA1 (0.56) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL22576792 0.87 GABRA1 (0.54) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL28899592 0.87 GABRA1 (0.56) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL28461274 0.87 GABRA1 (0.56) GABRA1GABRB2GABRDGABRA4GABRP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3750908-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2020-12-16 EP disclosed
WO-2019154257-A1 STEROID DERIVATIVE REGULATORS, METHOD FOR PREPARING THE SAME, AND USES THEREOF 江苏豪森药业集团有限公司 2019-08-15 WO disclosed